SCHEMBL4736713

SCHEMBL4736713

O=C(c1cccnc1)N1CCC(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 16/20 0.69
WNT3 P56703 2/20 0.49
CYP2C9 P11712 1/20 0.48
SLC9A1 P19634 1/20 0.48
EPHX2 P34913 2/20 0.47
CCR8 P51685 1/20 0.47
EPHX1 P07099 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4783487 0.91 SFRP1 (0.64) SFRP1WNT3CYP2C9SLC9A1CCR8
SCHEMBL4786060 0.86 SFRP1 (0.69) SFRP1WNT3
SCHEMBL4734352 0.85 SFRP1 (0.56) SFRP1WNT3
SCHEMBL4735165 0.85 SFRP1 (0.67) SFRP1WNT3EPHX2
SCHEMBL4734248 0.85 SFRP1 (0.54) SFRP1WNT3
SCHEMBL4786462 0.85 SFRP1 (0.64) SFRP1WNT3
SCHEMBL4737962 0.85 SFRP1 (0.55) SFRP1WNT3
SCHEMBL4733845 0.85 SFRP1 (0.55) SFRP1WNT3
SCHEMBL4731017 0.84 SFRP1 (0.53) SFRP1WNT3
SCHEMBL4736284 0.84 SFRP1 (0.68) SFRP1WNT3CYP2C9SLC9A1EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed